4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID
3-(4-Fluorobenzoyl)propionic acid
CAS: 366-77-8
Molecular Formula: C10H9FO3
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID - Names and Identifiers
| Name | 3-(4-Fluorobenzoyl)propionic acid |
| Synonyms | AKOS BBS-00006441 LABOTEST-BB LT00233221 Haloperidol metabolite III HALOPERIDOL METABOLITE III 3-(4-FLUOROBENZOYL)PROPIONIC ACID 3-(4-Fluorobenzoyl)propionic acid 3-(4'-FLUOROBENZOYL)PROPIONIC ACID 4-FLUORO-R-OXO-BENZENEBUTANOIC ACID 4-(4-FLUOROPHENYL)-4-OXOBUTYRIC ACID 4-(4-fluorophenyl)-4-oxobutanoic acid 4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID |
| CAS | 366-77-8 |
| EINECS | 206-679-1 |
| InChI | InChI=1/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID - Physico-chemical Properties
| Molecular Formula | C10H9FO3 |
| Molar Mass | 196.18 |
| Density | 1.2441 (estimate) |
| Melting Point | 100-102 °C (lit.) |
| Boling Point | 374.4±22.0 °C(Predicted) |
| Flash Point | 180.3°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 2.85E-06mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Orange to Green |
| BRN | 958145 |
| pKa | 4.50±0.17(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.528 |
| MDL | MFCD00002793 |
| Physical and Chemical Properties | White crystals. The melting point was 100-102 °c. |
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R22 - Harmful if swallowed |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Hazard Note | Corrosive |
| Hazard Class | IRRITANT |
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID - Reference Information
| Use | 3-(4-fluorobenzoyl) propionic acid is an intermediate of canagliflozin. The new SGLT2 inhibitor developed by canagliflozin is used to treat type 2 diabetes. On March 29, 2013, the US FDA approved Johnson Invokana tablets for the treatment of adult patients with type 2 diabetes. In September 2013, canagliflozin was approved by the European Drug Administration (EMA) for the treatment of adult type 2 diabetes. 3-(4-fluorobenzoyl) propionic acid is also an intermediate of pentafluride. Pentafluride is a white or white-like crystal with a melting point of 105-108 ℃. It is easily soluble in chloroform, acetone, hot ethanol, and slightly soluble in petroleum ether, water and dilute hydrochloric acid. Clinically, it is often used to treat various types of schizophrenia, and is more suitable for maintenance treatment of patients with remission. Penfluridol, an intermediate of the cardiotonic drug mibenzinone. |
| production method | prepared by reacting fluorobenzene with succinic anhydride. |
Last Update：2024-04-09 20:48:19
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